Ultrafast Protein Dynamics in Aqueous and Confined Environments Probed by 2D-IR Spectroscopy PDF Download

Author: Ilya Joseph Finkelstein
Publisher:
ISBN:
Category :
Languages : en
Pages : 366

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Author:
Publisher: Academic Press
ISBN: 0128211377
Category : Science
Languages : en
Pages : 554

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Book Description
Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly, Volume 170 in the Progress in Molecular Biology and Translational Science series, provides the most topical, informative and exciting monographs available on a wide variety of research topics. The series includes in-depth knowledge on the molecular biological aspects of organismal physiology, with this release including chapters on Pairwise-Additive and Polarizable Atomistic Force Fields for Molecular Dynamics Simulations of Proteins, Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers, Enhanced sampling and free energy methods, and much more. - Includes comprehensive coverage on molecular biology - Presents ample use of tables, diagrams, schemata and color figures to enhance the reader's ability to rapidly grasp the information provided - Contains contributions from renowned experts in the field

Author: Adam Liwo
Publisher: Springer
ISBN: 3319958437
Category : Technology & Engineering
Languages : en
Pages : 849

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This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.

Author: Paolo Carloni
Publisher: Forschungszentrum Jülich
ISBN: 3893367489
Category :
Languages : en
Pages : 267

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Author: Yanina Fedorenko
Publisher: BoD – Books on Demand
ISBN: 1789857392
Category : Technology & Engineering
Languages : en
Pages : 168

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Today, clean natural resources, global warming, energy production, transmission and storage are the most widely discussed topics and main directions of scientific research. This book presents a collection of research contributions addressing recent achievements in nanoscience to mitigate societal challenges of environmental pollution and energy shortage. The environmental control, forensics and virtually any industry rely on the newest advances in nanoscience and sustainable technologies. Nanostructured materials explored in ultrasensitive sensors aid in global environmental monitoring, medical diagnostics and energy conversion applications. Global energy resources - solar energy, hydrogen generation and the oceans - are being effectively explored owing to the discovery of new materials for photo- and photo-electrochemical energy conversion, hydrogen generation and storage, water purification and desalination, environmental control and information processing.

Author: Subhash C. Basak
Publisher: Elsevier
ISBN: 1681080524
Category : Mathematics
Languages : en
Pages : 356

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Book Description
Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more. - Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry - Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics - About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Author: Sergio Decherchi
Publisher: Frontiers Media SA
ISBN: 2889668630
Category : Science
Languages : en
Pages : 119

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Book Description
Dr. Sergio Decherchi and Dr. Andrea Cavalli are co-founders of BiKi Technologies s.r.l. - a company that commercializes a Molecular Dynamics-based software suite for drug discovery. All other Topic Editors declare no competing interests with regards to the Research Topic subject.

Author: Victor Nikonenko
Publisher: MDPI
ISBN: 3036513590
Category : Science
Languages : en
Pages : 368

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Membranes play an enormous role in our life. Biological cell membranes control the fluxes of substances in and out of cells. Artificial membranes are widely used in numerous applications including “green” separation processes in chemistry, agroindustry, biology, medicine; they are used as well in energy generation from renewable sources. They largely mimic the structure and functions of biological membranes. The similarity in the structure leads to the similarity in the properties and the approaches to study the laws governing the behavior of both biological and artificial membranes. In this book, some physico-chemical and chemico-physical aspects of the structure and behavior of biological and artificial membranes are investigated.

Author: H. Eugene Stanley
Publisher: John Wiley & Sons
ISBN: 1118540379
Category : Science
Languages : en
Pages : 544

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Book Description
The Advances in Chemical Physics series the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Electron Spin Resonance Studies of Supercooled Water Water-like Anomalies of Core-Softened Fluids: Dependence on the Trajectories in (P, ρ, T) Space Water Proton Environment: A New Water Anomaly at Atomic Scale? Polymorphism and Anomalous Melting in Isotropic Fluids Computer Simulations of Liquid Silica: Water-Like Thermodynamic and Dynamic Anomalies, and the Evidence for Polyamorphism

Author: Yutaka Ito
Publisher: Royal Society of Chemistry
ISBN: 1788012178
Category : Science
Languages : en
Pages : 322

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Book Description
In-cell NMR spectroscopy is a relatively new field. Despite its short history, recent in-cell NMR-related publications in major journals indicate that this method is receiving significant general attention. This book provides the first informative work specifically focused on in-cell NMR. It details the historical background of in-cell NMR, host cells for in-cell NMR studies, methods for in-cell biological techniques and NMR spectroscopy, applications, and future perspectives. Researchers in biochemistry, biophysics, molecular biology, cell biology, structural biology as well as NMR analysts interested in biological applications will all find this book valuable reading.